LMPK12140042
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.4263    7.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    7.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    8.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4263    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042    8.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042    7.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2703    7.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1924    7.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1924    8.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2703    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2703    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4263   10.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5498   10.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7661   10.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5498   11.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   12.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5498   12.6396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578   12.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2827    9.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1389    8.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9950    9.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9950   10.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1389   10.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2827   10.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7356   10.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  7 11  2  0  0  0  0
  5 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  9 20  1  6  0  0  0
 23 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140042

> <COMMON_NAME>
Brosimacutin A

> <SYSTEMATIC_NAME>
(2S)-2,3-Dihydro-2-(4-hydroxyphenyl)-7-hydroxy-8-(2,3-dihydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

> <FORMULA>
C20H22O6

> <MASS>
358.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MCDSHLATEYMKDN-ZENAZSQFSA-N

> <INCHI>
InChI=1S/C20H22O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21-22,24-25H,9-10H2,1-2H3/t17-,18?/m0/s1

> <SMILES>
C1C=C(O)C(CC(C(C)(O)C)O)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185322

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10970379

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1835378

> <CITATION>
12502325

$$$$